Molecular Solutions, Inc.
4411 Connecticut Avenue NW, STE 514
Washington, DC 20008-8677
http://www.netsci.org/Science/Compchem/feature17b.html
Published March, 2001
| 1925 | 1926 | 1931 | 1943 | 1946 | 1950 | 1951 | 1953 | 1955 | 1957 | 1958 | 1961 | 1963 | 1964 | 1965 | 1966 | 1967 | 1969 | 1970 | 1971 | 1972 | 1973 | 1974 | 1975 | 1976 | 1977 | 1978 | 1979 | 1980 | 1981 | 1982 | 1983 | 1984 | 1985 | 1986 | 1987 | 1988 | 1989 | 1990 | 1991 | 1992 | 1993 | 1994 | 1995 | 1996 | 1997 | 1998 | 1999 | 2000 | 2001 | |||||||||||||||||||||||||||
| Publications | Heisenberg publishes his first paper on quantum mechanics (Z. Phys., 1925, 33, 879). | Schrödinger publishes his first paper on the theory of quantum mechanics (Ann. Phys., 1926, 79, 361). | Pi electron theory postulated by Hückel (Z. Phys., 1931, 70, 204). | Westheimer reports the calculation of racemization ratios for ortho-bibromobiphenyls (J. Chem. Phys., 1946, 14, 733). | Roothaan publishes the description of the linear combination of atomic orbitals - molecular orbital - self consistent field (LCAO-MO-SCF) method. | Details of the Pariser - Pople - Parr theory are published (J. Chem. Phys., 1953, 21, 466; J. Chem. Phys., 1953, 21 767).
Metropolis and co-workers describe the application of the Monte Carlo method of simulation to physical chemistry problems (J. Chem. Phys., 1953, 1087, 21). |
Scherr reports the first ab initio calculation for a large system, N2. | Pople publishes details on the application of self-consistent molecular orbital methods to pi electrons (J. Phys. Chem., 1957, 61, 6). | Hendrickson publishes the results of calculations of relative conformational stabilities of cyclohexane (J. Amer. Chem. Soc., 1961, 83, 5537).
Leonard Kleinrock (MIT) publishes the first paper on packet switching. |
Hansch and Fujita describe a new approach to analyzing drug actions: QSAR, a quantitative structure activity relationship (Hansch, C and Fujita, T., J. Amer. Chem. Soc., 1964, 86, 1616) |
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Cyrus Levinthal, et. al. publish paper on the use of molecular graphics and computer simulation (Levinthal, C.; Scientific American, 1966, 214: 42). | The first paper proposing ARPANET is published by Larry Roberts at the DOD's Advanced Research Projects Agency (ARPA) | E.J. Corey and Todd Wipke publish details for the
Computer-Assisted Organic Synthesis Planning (CASP) program (Corey,
E.J.; Wipke, W.T.; Science, 1969, 166:
178).
Levitt and Lifson report the use of force fields to refine protein conformations derived from experimental data (Michael Levitt and Shneior Lifson; J. Mol. Biol., 1969, 46, 269-279). |
Warshel and Lifson publish a description of the Consistent Force Field (Warshal, A.; Lifson, S.; J. Chem. Phys., 1970, 53: 582-594). | Hendrickson describes a computer assisted synthesis program (Hendrickson, J.B., J. Amer. Chem. Soc., 1971, 93, 6847). | Garland Marshall, et. al. publish a description of the MMS-X
program (Marshall, G.R.; Beitch, J.; Ellis, R.A.; Fritsch, J.M.;
Diabetes, 1972, 21, Suppl. 2: 506).
The Cambridge Bibliographic file is described (Kennard, O.; Watson, D.G.; Town, W.G.; J. Chem. Doc., 1972, 12: 234-6). |
The Brookhaven Protein Data Bank is announced (Acta. Cryst.
B, 1973, 29: 1746).
N.L. Allinger describes the modeling of hydrocarbons with a new force field, MM1 (Allinger, N.L.; Sprague, J.T.; J. Amer. Chem. Soc., 1973, 95: 3893). |
Robert Langridge, et. al. publish paper on the use of computer
graphics to visualize 3-D chemical structures (Langridge, R.;
Fed. Proc. Fed. Am. Soc. Exp. Biol., 1974,
33: 2332).
Wipke and Dyott describe SEMA, the Stereochemically Extended Morgan Algorithm (Wipke, W.T.; Dyott, T.M.; J. Amer. Chem. Soc., 1974, 96: 4834). |
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N.L. Allinger, et. al. release the MM1 program through QCPE (Allinger, N.L.; Quantum Chemistry Program Exchange, 1976, 318). |
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T. Alwyn Jones, et. al. describe the FRODO program (Jones,
T.A.; J. Appl. Crystallogr., 1978, 11:
268).
David Pensak, et. al. describe the TRIBBLE program which uses the E&S Multi-Picture System (MPS) for graphics display (Eaton, D.F.; Pensak, D.A.; J. Amer. Chem. Soc., 1978, 100: 7428-7429). |
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Peter Kollman, et. al. publish preliminary description of the
AMBER force field for protein/DNA calculations. (Weiner, P.K.;
Kollman, P.A.; J. Comp. Chem., 1981,
2: 287-303).
Robert Langridge, et. al. publish description of the MIDAS program (Langridge, R.; Ferrin, T.; Kuntz, I.D.; Connolly, M.L.; Science, 1981, 221, 661). |
An algorithm for docking small molecules to receptors (later to become the DOCK program) is published by Irwin Kuntz and colleagues (Kuntz, I.D.; Blaney, J.M.; Oatley, S.J.; Langridge, R.; Ferrin, T.E.; J. Mol. Biol., 1982, 161, 269). |
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Peter Kollman, et. al. publish description of the AMBER program
(Weiner, S.J.; Kollman, P.A.; Case, D.A.; Singh, U.C.; Ghio, C.;
Alagona, G; Profeta, S.; Weiner, P; J. Amer. Chem. Soc.,
1984, 106: 765-784).
Svante Wold publishes the details of Partial Least Squares (PLS), a new method of data analysis which facilitates the derivation of linear equations from data tables that have more columns than rows (Wold, S., Ruhe, A., Wold, H., and Dunn, W.J. III; SIAM J. Sci. Stat. Comput., 1984, 5, 735). |
Peter Goodford publishes a paper detailing the use of probe-interaction grids for SAR studies on fields derived from 3D geometries (Goodford, P.J.; J. Med. Chem., 1985, 28, 849). | The first presentation of CONCORD made at the 1986 ACS Meeting in Anaheim (Rusinko, A. III; Skell, J.M.; Balducci, R.; Pearlman, R.S.; "CONCORD: Rapid Generation of High Quality Approximate 3-Dimensional Molecular Coordinates", Abstracts of the 192nd American Chemical Society Meeting, Anaheim, CA, 1986). |
Robert Pearlman publishes the first description of CONCORD
("Rapid Generation of High Quality Approximate 3D Molecular
Structures", Pearlman, R.S.; Chemical Design and Automation
News, 1987, 2: 1,5-7).
The Journal of Computer-Aided Molecular Design is published. |
Richard Cramer publishes the first description of CoMFA, a QSAR technique that explicitly incorporates 3D geometries (Richard D. Cramer, III, David E. Patterson, and Jeffrey D. Bunce, J. Amer. Chem. Soc., 1988, 110, 5959-5967). | Allinger et. al, publish the first descriptions of the MM3 program (Allinger, N.L.; Yuh, Y.H.; Lii, J.-H.; J. Am. Chem. Soc., 1989, 111: 8551, 8566, 8576). | Clark Still, et. al. publish the description of MacroModel
(Mohamadi, F; Richards, N.G.J.; Guida, W.C.; Liskamp, R; Lipton,
M.; Caufield, C.; Chang, G.; Hendrickson, T. and Still, W.C.;
J. Comp. Chem., 1990, 11:
440-467).
The first edition of Reviews in Computational Chemistry is published |
Bruce Gelin publishes the first edition of MMCC Results, a survey of the computational chemistry literature. The issue surveys 30 journals that report studies in the field. | N.L. Allinger et. al. publish first description of MM4 (Allinger, N.L.; Chen, K.S.; Lii, J.H.; Nevins, N.; J. Comp. Chem., 1996, 17: 642, 669, 695, 730). | |||||||||||||||||||||||||||||||||||||||
| Software & Hardware | The first computer, the ENIAC (Electronic Numberical Integrator and Computer) is built for the US Army Ordance Department. | The first UNIVAC (Universal Automatic Computer) is delivered to the Census Bureau | The first integrated circuit board is constructed by Jack Kilby at Texas Instruments.
The Advanced Research Projects Agency (ARPA) is formed |
The ARPANET is created by linking computers at Stanford, UCLA, UCSB and Utah.
Ken Thompson, Dennis Ritchie and Joseph Ossanna develop a new operating system, UNIX, for the DEC PDP-7. Dennis Ritchie and Brian Kernighan create c at Bell Labs. |
Boeing announces the maiden voyage of the 747 | Ray Tomlinson releases details about a new computer program that can send and receive personalized messages. Electronic mail is born! | Robert Metcalfe receives his Ph.D. from Harvard University. His thesis describes Ethernet. | Vint Cerf and Robert Kahn develop the concept of connecting networks of computers into an "internet" and develop the Transmission Control Protocol (TCP). | Microsoft founded. |
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IBM introduces its Personal Computer to the market. | The Compact Disk (CD) is launched. |
Jon Postel's Domain Name System (DNS) is placed on-line.
The Macintosh is announced. |
NSFnet debuts |
The manual for the THOR, GENIE, and MERLIN software from the Pomona MedChem project are described (Weininger, D., Weininger, A., and Leo, A.J., MedChem Software Manual, Release 3.53, Medicinal Chemistry Project, Pomona College, Claremont, CA, 1987).
Larry Wall releases a new programming language, the Practical Extraction and Report Language (Perl). |
A new program, an Internet computer virus designed by a student, infects 6,000 military computers in the US. | The research institute in Geneva (CERN) announces creation of the
protocols which make-up the World Wide Web.
The Gopher program is released by the University of Minnesota |
The Supercomputing Institute (NCSA) at the University of Illinois releases Mosaic. | Netscape Communications Corporation founded and releases Navigator. |
NSFnet is retired. Several private companies assume responsibility
for the network backbones in the US. Universities announce
creation of vBNS.
Sun launches java. Netscape and Sun release JavaScript Microsoft releases Internet Explorer. |
The Napster file sharing system appears on the internet. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Comp Chem Companies | Quantum Chemistry Program Exchange (QCPE) formed at Indiana University to distribute quantum chemistry codes (Hall, K.; and Prosser, F.; Rev. Comp. Chem., 1963, 5: 33). Thanks to Greg Durst. |
Health Designs, Inc.
founded in New York by Kurt Enslein. Primary Product: TOPKAT
(toxicology prediction)
Molecular Design Ltd. founded in California by Stuart Marson and Todd Wipke. Primary product: MACCS (chemical databases) which runs on the Prime computer and an IMLAC graphics system. |
Tripos Associates, Inc. founded in Missouri by Garland Marshall. Primary product: SYBYL which ran on a Gould SEL computer system (molecular modeling, drug design). |
IntelliGenetics founded
in California. Primary product: IntelliGenetics Suite (DNA and
protein sequence analysis).
General Atomic and Molecular Electronic Structure System (GAMESS) developed at NRCC by Michel Dupuis and co-workers. |
Genetics Computer Group
(GCG) created as a part of the University of Wisconsin
Biotechnology Center. Primary product: The Wisconsin Suite
(molecular biology tools).
Hare Research founded in Washington by Dennis Hare. Primary product: FELIX and DSPACE (NMR structure refinement). |
Chemical Design Ltd.
founded in Oxford, UK by Keith Davies. Primary product: Chem-X
(molecular modeling, drug design).
Hypercube Inc. founded in Waterloo, Canada by Neil Ostlund. Primary product: HyperChem (PC-based molecular modeling). New Methods Research Inc. (NMRi) founded in New York by George Levy. Primary product: NMR-1 (NMR spectroscopy acquisition and analysis). |
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ORAC Ltd. founded in the UK by Glen Hopkinson. Primary product:
ORAC/OSAC (chemical and reaction databases).
Serena Software founded in Indiana by Kevin Gilbert. Primary product: PCModel/GMMX (molecular modeling). |
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Molecular Applications
Group founded in California by Michael Levitt and Chris Lee.
Primary product: Look, SegMod (molecular modeling, protein
design).
Schrödinger, Inc. founded in California by Richard A. Friesner and William Goddard. Primary product: PS-GVB (ab initio quantum mechanics). |
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Synopsys Scientific Systems purchased by Pharmacopeia
Oxford Molecular Group purchased by Pharmacopeia Afferent Systems purchased by MDL Information Systems |
Camitro purchased by ArQule Trega Biosciences purchased by Lion Biosciences Pharmacopeia combines Molecular Simulations, Synopsys Scientific Systems, and Oxford Molecular Group into a new subsidiary, Accelrys |
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| Summary |
Companies created: 2 Companies merger/acquired: 0 Total number of companies: 2 |
Companies created: 1 Companies merger/acquired: 0 Total number of companies: 3 |
Companies created: 1 Companies merger/acquired: 0 Total number of companies: 4 |
Companies created: 0 Companies merger/acquired: 0 Total number of companies: 4 |
Companies created: 2 Companies merger/acquired: 0 Total number of companies: 6 |
Companies created: 3 Companies merger/acquired: 0 Total number of companies: 9 |
Companies created: 4 Companies merger/acquired: 0 Total number of companies: 13 |
Companies created: 2 Companies merger/acquired: 0 Total number of companies: 15 |
Companies created: 3 Companies merger/acquired: 1 Total number of companies: 18 |
Companies created: 4 Companies merger/acquired: 2 Total number of companies: 20 |
Companies created: 3 Companies merger/acquired: 0 Total number of companies: 23 |
Companies created: 2 Companies merger/acquired: 0 Total number of companies: 25 |
Companies created: 2 Companies merger/acquired: 2 Total number of companies: 25 |
Companies created: 2 Companies merger/acquired: 3 Total number of companies: 24 |
Companies created: 3 Companies merger/acquired: 1 Total number of companies: 26 |
Companies created: 2 Companies merger/acquired: 2 Total number of companies: 26 |
Companies created: 1 Companies merger/acquired: 2 Total number of companies: 25 |
Companies created: 1 Companies merged/acquired: 2 Total number of companies: 24 |
Companies created: 5 Companies merged/acquired: 2 Total number of companies: 27 |
Companies created: 1 Companies merged/acquired: 4 Total number of companies: 24 |
Companies created: 3 Companies merged/acquired: 2 Total number of companies: 25 |
Companies created: 0 Companies merged/acquired: 2 Total number of companies: 23 |
Companies created: 0 Companies merged/acquired: 2 Total number of companies: 21 |
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| 1925 | 1926 | 1931 | 1943 | 1946 | 1950 | 1951 | 1953 | 1955 | 1957 | 1958 | 1961 | 1963 | 1964 | 1965 | 1966 | 1967 | 1969 | 1970 | 1971 | 1972 | 1973 | 1974 | 1975 | 1976 | 1977 | 1978 | 1979 | 1980 | 1981 | 1982 | 1983 | 1984 | 1985 | 1986 | 1987 | 1988 | 1989 | 1990 | 1991 | 1992 | 1993 | 1994 | 1995 | 1996 | 1997 | 1998 | 1999 | 2000 | 2001 |